(2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-methyl-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-methyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-3-(3-bromophenyl)sulfanyl-N-methyl-propanamide CAS Name: (2S)-2-acetamido-3-[(3-bromophenyl)thio]-N-methyl-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-3-(3-bromophenyl)sulfanyl-N-methylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-3-[(3-bromophenyl)thio]-N-methyl-propionamide Formula: C19H21BrN2O2S MolecularWeight: 421.35124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC(=CC=C1)Br)C(=O)N(C)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC(=CC=C1)Br)C(=O)N(C)CC2=CC=CC=C2

InChI

InChI=1S/C19H21BrN2O2S/c1-14(23)21-18(13-25-17-10-6-9-16(20)11-17)19(24)22(2)12-15-7-4-3-5-8-15/h3-11,18H,12-13H2,1-2H3,(H,21,23)/t18-/m1/s1